2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one

C24H24N2O5S — CID 69367628

IUPAC2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one
SMILESCS(=O)(=O)N1CCC(C2OC(c3ccncc3)=C(c3ccc4c(c3)CCC4=O)C2=O)CC1
InChIInChI=1S/C24H24N2O5S/c1-32(29,30)26-12-8-16(9-13-26)24-22(28)21(23(31-24)15-6-10-25-11-7-15)18-2-4-19-17(14-18)3-5-20(19)27/h2,4,6-7,10-11,14,16,24H,3,5,8-9,12-13H2,1H3
InChIKeyCPOOCVALQSOCDB-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.72
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one

2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one (PubChem CID 69367628) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one
PubChem CID69367628
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one
SMILESCS(=O)(=O)N1CCC(C2OC(c3ccncc3)=C(c3ccc4c(c3)CCC4=O)C2=O)CC1
InChIInChI=1S/C24H24N2O5S/c1-32(29,30)26-12-8-16(9-13-26)24-22(28)21(23(31-24)15-6-10-25-11-7-15)18-2-4-19-17(14-18)3-5-20(19)27/h2,4,6-7,10-11,14,16,24H,3,5,8-9,12-13H2,1H3
InChIKeyCPOOCVALQSOCDB-UHFFFAOYSA-N
XLogP2.72
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one with MolForge

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Related Compounds

5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
CID 86715526
5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
CID 69368125
5-[5-[1-(cyclopropylmethyl)piperidin-4-yl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-one
CID 91160419
5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 91008901
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69314809
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
5-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)furan-3-yl]-2,3-dihydroinden-1-one
CID 91362053
5-[5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
CID 69430551
5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one
CID 171127297
3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
CID 59860238
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
(4S)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyridin-4-yl-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 153011471

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one (CID 69367628) is 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one is CS(=O)(=O)N1CCC(C2OC(c3ccncc3)=C(c3ccc4c(c3)CCC4=O)C2=O)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one?
The InChIKey is CPOOCVALQSOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-32(29,30)26-12-8-16(9-13-26)24-22(28)21(23(31-24)15-6-10-25-11-7-15)18-2-4-19-17(14-18)3-5-20(19)27/h2,4,6-7,10-11,14,16,24H,3,5,8-9,12-13H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one?
2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one has a molecular weight of 452.53 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)-4-(1-oxo-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-3-one is sourced from PubChem (CID 69367628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).